Charge: 2
Inchi:1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H/q+2
Electronic States
Energy
(eV)
-692.28642
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03906 b
(cm-1)
0.00844 c
(cm-1)
0.00694
Dipole Moments
mu_x(Debye)
-0.13629 mu_y
(Debye)
0.70909 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.27700
Diff mu Y
(Debye)
-0.40800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00972
-0.02904
0.00000
2
0.01830
-0.01304
0.00000
3
-0.02245
-0.09417
0.00000
4
-0.00615
0.09381
0.00000
5
0.02531
0.07434
0.00000
6
-0.00259
-0.06113
0.00000
7
0.01531
0.04820
0.00000
8
0.01172
0.00839
0.00000
9
0.00961
0.03053
0.00000
10
-0.01296
-0.03514
0.00000
11
0.07614
0.06545
0.00000
12
-0.05425
-0.03401
0.00000
13
-0.03230
-0.00952
0.00000
14
-0.00858
0.02355
0.00000
15
-0.01748
-0.02529
0.00000
16
0.01142
0.01007
0.00000
17
-0.02396
0.00926
0.00000
18
-0.00224
-0.04460
0.00000
19
0.05612
0.11220
0.00000
20
0.00724
-0.07984
0.00000
21
-0.08517
-0.28703
0.00000
22
0.08069
0.30281
0.00000
23
-0.03675
-0.11995
0.00000
24
0.09120
-0.13953
0.00000
25
0.10989
0.05353
0.00000
26
-0.12386
0.04111
0.00000
27
-0.12371
0.09608
0.00000
28
-0.01212
-0.06091
0.00000
29
0.01207
0.01532
0.00000
30
0.08886
-0.14412
0.00000